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82864-24-2 | 2H-1-Benzopyran-3,4-diol,3,4-dihydro-7-methoxy-2,2-dimethyl-, (3S,4S)-
CAS No: 82864-24-2 Catalog No: AG0055LF MDL No:
Product Description
Catalog Number:
AG0055LF
Chemical Name:
2H-1-Benzopyran-3,4-diol,3,4-dihydro-7-methoxy-2,2-dimethyl-, (3S,4S)-
CAS Number:
82864-24-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
(3S,4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
InChI:
InChI=1S/C12H16O4/c1-12(2)11(14)10(13)8-5-4-7(15-3)6-9(8)16-12/h4-6,10-11,13-14H,1-3H3/t10-,11-/m0/s1
InChI Key:
VYQZZUGIBSTOAP-QWRGUYRKSA-N
SMILES:
COc1ccc2c(c1)OC([C@H]([C@H]2O)O)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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